5,7-diethyldeca-5,6-dien-3-yne

C14H22 — CID 595131

IUPAC5,7-diethyldeca-5,6-dien-3-yne
SMILESCCC#CC(=C=C(CC)CCC)CC
InChIInChI=1S/C14H22/c1-5-9-11-14(8-4)12-13(7-3)10-6-2/h5-8,10H2,1-4H3
InChIKeyHFTHVMPRQHDBBN-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.47
Rot. Bonds4

About 5,7-diethyldeca-5,6-dien-3-yne

5,7-diethyldeca-5,6-dien-3-yne (PubChem CID 595131) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 5,7-diethyldeca-5,6-dien-3-yne.

Molecular Properties

Compound Name5,7-diethyldeca-5,6-dien-3-yne
PubChem CID595131
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name5,7-diethyldeca-5,6-dien-3-yne
SMILESCCC#CC(=C=C(CC)CCC)CC
InChIInChI=1S/C14H22/c1-5-9-11-14(8-4)12-13(7-3)10-6-2/h5-8,10H2,1-4H3
InChIKeyHFTHVMPRQHDBBN-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5,7-diethyldeca-5,6-dien-3-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-diethyldeca-5,6-dien-3-yne?
The IUPAC name of 5,7-diethyldeca-5,6-dien-3-yne (CID 595131) is 5,7-diethyldeca-5,6-dien-3-yne.
What is the SMILES notation for 5,7-diethyldeca-5,6-dien-3-yne?
The canonical SMILES for 5,7-diethyldeca-5,6-dien-3-yne is CCC#CC(=C=C(CC)CCC)CC.
What is the InChIKey of 5,7-diethyldeca-5,6-dien-3-yne?
The InChIKey is HFTHVMPRQHDBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-5-9-11-14(8-4)12-13(7-3)10-6-2/h5-8,10H2,1-4H3.
What are the key properties of 5,7-diethyldeca-5,6-dien-3-yne?
5,7-diethyldeca-5,6-dien-3-yne has a molecular weight of 190.33 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyldeca-5,6-dien-3-yne is sourced from PubChem (CID 595131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).